1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide

C24H30N4O3 — CID 47043586

IUPAC1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)CC2)cn1
InChIInChI=1S/C24H30N4O3/c1-27-16-20(15-25-27)24(31)26-21-10-12-28(13-11-21)23(30)9-8-22(29)19-7-6-17-4-2-3-5-18(17)14-19/h6-7,14-16,21H,2-5,8-13H2,1H3,(H,26,31)
InChIKeyXXWSNZKSXVJGMT-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.68
Rot. Bonds6

About 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide

1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 47043586) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID47043586
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)CC2)cn1
InChIInChI=1S/C24H30N4O3/c1-27-16-20(15-25-27)24(31)26-21-10-12-28(13-11-21)23(30)9-8-22(29)19-7-6-17-4-2-3-5-18(17)14-19/h6-7,14-16,21H,2-5,8-13H2,1H3,(H,26,31)
InChIKeyXXWSNZKSXVJGMT-UHFFFAOYSA-N
XLogP2.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 47043586) is 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)CC2)cn1.
What is the InChIKey of 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is XXWSNZKSXVJGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-27-16-20(15-25-27)24(31)26-21-10-12-28(13-11-21)23(30)9-8-22(29)19-7-6-17-4-2-3-5-18(17)14-19/h6-7,14-16,21H,2-5,8-13H2,1H3,(H,26,31).
What are the key properties of 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 47043586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).